1-[(2R,3R,5R)-3-methyl-5-prop-2-enyloxolan-2-yl]ethanone

C10H16O2 — CID 53386491

IUPAC1-[(2R,3R,5R)-3-methyl-5-prop-2-enyloxolan-2-yl]ethanone
SMILESC=CC[C@@H]1C[C@@H](C)[C@H](C(C)=O)O1
InChIInChI=1S/C10H16O2/c1-4-5-9-6-7(2)10(12-9)8(3)11/h4,7,9-10H,1,5-6H2,2-3H3/t7-,9-,10-/m1/s1
InChIKeyBXXIXZPYPVTQLW-SZEHBUNVSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds3

About 1-[(2R,3R,5R)-3-methyl-5-prop-2-enyloxolan-2-yl]ethanone

1-[(2R,3R,5R)-3-methyl-5-prop-2-enyloxolan-2-yl]ethanone (PubChem CID 53386491) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-[(2R,3R,5R)-3-methyl-5-prop-2-enyloxolan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3R,5R)-3-methyl-5-prop-2-enyloxolan-2-yl]ethanone
PubChem CID53386491
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-[(2R,3R,5R)-3-methyl-5-prop-2-enyloxolan-2-yl]ethanone
SMILESC=CC[C@@H]1C[C@@H](C)[C@H](C(C)=O)O1
InChIInChI=1S/C10H16O2/c1-4-5-9-6-7(2)10(12-9)8(3)11/h4,7,9-10H,1,5-6H2,2-3H3/t7-,9-,10-/m1/s1
InChIKeyBXXIXZPYPVTQLW-SZEHBUNVSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(2R,3R,5R)-3-methyl-5-prop-2-enyloxolan-2-yl]ethanone with MolForge

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Related Compounds

1-(2-Methyloxolan-2-yl)pent-4-en-1-one
CID 12736619
1-(2-Methyloxolan-2-yl)hex-5-en-1-one
CID 80166483
1-[(2R,4S,5R)-5-[(2S)-but-3-en-2-yl]-4-methyloxolan-2-yl]ethanone
CID 10877766
(2S,5R)-5-propan-2-yl-2-prop-2-enyloxolan-3-one
CID 10931826
5-(2-Methylpropyl)-2-prop-2-enyloxolan-3-one
CID 135042256
(E)-1-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]but-2-en-1-one
CID 59034341
(2R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-one
CID 72707829
4,5-Bis(but-2-enyl)oxolane-2-carbaldehyde
CID 74070063
5,5-Bis(but-2-enyl)oxolane-2-carbaldehyde
CID 91487558
(2S,4S,5R)-4-methyl-5-[(2R)-2-methylbutyl]-2-prop-2-enyloxolan-3-one
CID 121338909
2,5-Dimethyl-6-prop-2-enyloxan-3-one
CID 123575713
1-(5,5-Dimethyloxolan-2-yl)but-3-en-1-one
CID 135207912

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,5R)-3-methyl-5-prop-2-enyloxolan-2-yl]ethanone?
The IUPAC name of 1-[(2R,3R,5R)-3-methyl-5-prop-2-enyloxolan-2-yl]ethanone (CID 53386491) is 1-[(2R,3R,5R)-3-methyl-5-prop-2-enyloxolan-2-yl]ethanone.
What is the SMILES notation for 1-[(2R,3R,5R)-3-methyl-5-prop-2-enyloxolan-2-yl]ethanone?
The canonical SMILES for 1-[(2R,3R,5R)-3-methyl-5-prop-2-enyloxolan-2-yl]ethanone is C=CC[C@@H]1C[C@@H](C)[C@H](C(C)=O)O1.
What is the InChIKey of 1-[(2R,3R,5R)-3-methyl-5-prop-2-enyloxolan-2-yl]ethanone?
The InChIKey is BXXIXZPYPVTQLW-SZEHBUNVSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-5-9-6-7(2)10(12-9)8(3)11/h4,7,9-10H,1,5-6H2,2-3H3/t7-,9-,10-/m1/s1.
What are the key properties of 1-[(2R,3R,5R)-3-methyl-5-prop-2-enyloxolan-2-yl]ethanone?
1-[(2R,3R,5R)-3-methyl-5-prop-2-enyloxolan-2-yl]ethanone has a molecular weight of 168.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,5R)-3-methyl-5-prop-2-enyloxolan-2-yl]ethanone is sourced from PubChem (CID 53386491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).